Cgp 45688
TL;DR: Cgp 45688 (CAS 134520-88-0) is a chemical compound with molecular formula C16H10N6 and molecular weight 286.09668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-cyanophenyl)-(tetrazol-2-yl)methyl]benzonitrile
Also Known As: Cgp 45688, 4-[(4-cyanophenyl)-(tetrazol-2-yl)methyl]benzonitrile, Benzonitrile, 4,4'-(2H-tetrazol-2-ylmethylene)bis-, 4,4'-(2H-TETRAZOL-2-YLMETHYLENE)BISBENZONITRILE, 4,4'-[(2H-Tetrazol-2-yl)methylene]dibenzonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H10N6 |
| Molecular Weight | 286.09668 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.09668 Da |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
| SMILES | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3N=CN=N3 |
| InChIKey | PQSGESDQXVWRGN-UHFFFAOYSA-N |
Chemical Property Profile of Cgp 45688
Property Insights of Cgp 45688
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cgp 45688. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cgp 45688. Following Lipinski's Rule of Five, Cgp 45688 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cgp 45688?
The CAS number of Cgp 45688 is 134520-88-0.
What is the molecular formula of Cgp 45688?
The molecular formula of Cgp 45688 is C16H10N6.
What is the molecular weight of Cgp 45688?
The molecular weight of Cgp 45688 is 286.09668 g/mol.
Where can I buy Cgp 45688?
You can request a quote for Cgp 45688 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cgp 45688?
Yes, CoreyChem provides custom synthesis services for Cgp 45688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.